ChemDB: Chemical Search
Download
Chemical ID: 5519552
Chemical ID:
5519552
Name [?]:
[4-(3-methoxyphenyl)amino-1-piperidyl]-(1-naphthyl)methanone
SMILES [?]:
COc1cccc(c1)NC2CCN(CC2)C(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C23H24N2O2/c1-27-20-9-5-8-19(16-20)24-18-12-14-25(15-13-18)23(26)22-11-4-7-17-6-2-3-10-21(17)22/h2-11,16,18,24H,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,20,5,27,21,6,4,24,19,11,15,12,14,8,22,10,7,3,23,18,16,9,13,17,2/E:(12,13)(14,15)/rA:27nCOCCCCCCNCCCNCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7494 |
Area: | 574.66 |
Solvation: | -3.61708 |
Coulombic: | -38.7007 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.75 |
LogP (Chemaxon): | 3.38 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|